制备方法

由苯磺化制苯磺酸，再与苯作用而得，先将100%硫酸加热到130oC，并向其中通入苯蒸气，20min以后，反应温度升至180oC，再经2h,使反应温度升高到205~215oC继续反应10~12h。反应停止后，冷却，倒入水中，过滤、水洗干燥而得成品。

合成制备方法

由苯磺化制苯磺酸，再与苯作用而得，先将100%硫酸加热到130ºC，并向其中通入苯蒸气，20min以后，反应温度升至180ºC，再经2h,使反应温度升高到205~215ºC继续反应10~12h。反应停止后，冷却，倒入水中，过滤、水洗干燥而得成品。

用途简介

用于有机合成，作增塑剂、杀螨剂。用作医药、农药中间体。

用途

用于有机合成，作增塑剂、杀螨剂。

用作医药、农药中间体。

海关代码：

2930909090

WGK_Germany：

3
德国有关水污染物质的分类清单

危险类别码：

R36/37/38

安全说明：

S26-S36-S37/39

RTECS号：

SX2400000

安全标志：

S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。

危险标志：

Xi:Irritant

CHEMICAL IDENTIFICATION

RTECS NUMBER :

SX2400000

CHEMICAL NAME :

Phenyl sulfone

CAS REGISTRY NUMBER :

127-63-9

BEILSTEIN REFERENCE NO. :

1910573

LAST UPDATED :

199806

DATA ITEMS CITED :

12

MOLECULAR FORMULA :

C12-H10-O2-S

MOLECULAR WEIGHT :

218.28

WISWESSER LINE NOTATION :

WSR&R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

2250 mg/kg

TOXIC EFFECTS :

Sense Organs and Special Senses (Eye) - lacrimation Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533717

TYPE OF TEST :

LC - Lethal concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

>1700 mg/m3/8H

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533717

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Unreported

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

>2 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

RREVAH Residue Reviews. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1962- Volume(issue)/page/year: 36,240,1971

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

375 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,503,1995

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

313 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,503,1995

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

329 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,503,1995

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

320 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01761

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

4700 mg/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea Kidney, Ureter, Bladder - other changes in urine composition

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555048 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

4500 mg/kg/2W-I

TOXIC EFFECTS :

Liver - other changes Kidney, Ureter, Bladder - other changes

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533717

毒理学数据：

1、急性毒性：大鼠经口LD5O：2250mg/kg

             大鼠吸入LC：>1700mg/m³/8H

             小鼠经口LD5O：375mg/kg

             小鼠经腹膜腔LD5O：313mg/kg

             小鼠皮下LD5O：329mg/kg

             小鼠静脉注射LD5O：320mg/kg

             兔子经口LDLO：4700mg/kg

2、其他多剂量毒性：大鼠经口TDLO：4500mg/kg/2W-I

中国海关编码：2930909090

概述：

2930909090. 其他有机硫化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%

申报要素：

品名, 成分含量, 用途

摘要/Summary：

2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

分子结构数据

1、   摩尔折射率：60.27

2、   摩尔体积（cm³/mol）：177.7

3、   等张比容（90.2K）：457.1

4、   表面张力（dyne/cm）：43.6

5、   极化率（10^-24cm³）：23.89

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积42.5

7.重原子数量:15

8.表面电荷:0

9.复杂度:253

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

• 
  二苯基砜红外图谱(IR1)
• 
  二苯基砜红外图谱(IR2)
• 
  二苯基砜红外图谱(IR3)
• 
  二苯基砜质谱(MS)
• 
  二苯基砜核磁图(¹³CNMR)
• 
  二苯基砜核磁图(¹HNMR)